CID 85740605

2138138-02-8

Structural Information

Molecular Formula
C20H19NO4
SMILES
C1CN(C1CC(=O)O)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C20H19NO4/c22-19(23)11-13-9-10-21(13)20(24)25-12-18-16-7-3-1-5-14(16)15-6-2-4-8-17(15)18/h1-8,13,18H,9-12H2,(H,22,23)
InChIKey
LLQYJNLNJUXABL-UHFFFAOYSA-N
Compound name
2-[1-(9H-fluoren-9-ylmethoxycarbonyl)azetidin-2-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.1314 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.13868 177.1
[M+Na]+ 360.12062 182.0
[M-H]- 336.12412 182.4
[M+NH4]+ 355.16522 185.6
[M+K]+ 376.09456 181.0
[M+H-H2O]+ 320.12866 164.1
[M+HCOO]- 382.12960 192.6
[M+CH3COO]- 396.14525 211.0
[M+Na-2H]- 358.10607 177.6
[M]+ 337.13085 187.2
[M]- 337.13195 187.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.